U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Al13(CrSi)4 by Materials Project
Abstract
Al13Cr4Si4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cr is bonded in a 3-coordinate geometry to six Al and three equivalent Si atoms. There are three shorter (2.46 Å) and three longer (2.76 Å) Cr–Al bond lengths. All Cr–Si bond lengths are 2.39 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a tetrahedral geometry to four equivalent Si atoms. All Al–Si bond lengths are 2.41 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Cr, eight Al, and two equivalent Si atoms. There are four shorter (2.88 Å) and four longer (2.94 Å) Al–Al bond lengths. Both Al–Si bond lengths are 2.79 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Cr, eight Al, and two equivalent Si atoms. All Al–Al bond lengths are 2.94 Å. Both Al–Si bond lengths are 2.78 Å. Si is bonded in a 10-coordinate geometry to three equivalent Cr and seven Al atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-505572
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Al13(CrSi)4; Al-Cr-Si
- OSTI Identifier:
- 1262595
- DOI:
- https://doi.org/10.17188/1262595
Citation Formats
The Materials Project. Materials Data on Al13(CrSi)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1262595.
The Materials Project. Materials Data on Al13(CrSi)4 by Materials Project. United States. doi:https://doi.org/10.17188/1262595
The Materials Project. 2020.
"Materials Data on Al13(CrSi)4 by Materials Project". United States. doi:https://doi.org/10.17188/1262595. https://www.osti.gov/servlets/purl/1262595. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1262595,
title = {Materials Data on Al13(CrSi)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Al13Cr4Si4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cr is bonded in a 3-coordinate geometry to six Al and three equivalent Si atoms. There are three shorter (2.46 Å) and three longer (2.76 Å) Cr–Al bond lengths. All Cr–Si bond lengths are 2.39 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a tetrahedral geometry to four equivalent Si atoms. All Al–Si bond lengths are 2.41 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Cr, eight Al, and two equivalent Si atoms. There are four shorter (2.88 Å) and four longer (2.94 Å) Al–Al bond lengths. Both Al–Si bond lengths are 2.79 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Cr, eight Al, and two equivalent Si atoms. All Al–Al bond lengths are 2.94 Å. Both Al–Si bond lengths are 2.78 Å. Si is bonded in a 10-coordinate geometry to three equivalent Cr and seven Al atoms.},
doi = {10.17188/1262595},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}